Chemical ID: 4535996

c1ccc(c(c1)C(=O)O)NC(=O)c2ccc(c(c2)Cl)Cl
Chemical ID:
4535996
Name [?]:
2-(3,4-dichlorobenzoyl)aminobenzoic acid
SMILES [?]:
c1ccc(c(c1)C(=O)O)NC(=O)c2ccc(c(c2)Cl)Cl
InChi [?]:
InChI=1/C14H9Cl2NO3/c15-10-6-5-8(7-11(10)16)13(18)17-12-4-2-1-3-9(12)14(19)20/h1-7H,(H,17,18)(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,14,15,18,13,5,16,17,4,11,7,20,19,10,12,8,9/E:(19,20)/rA:20nCCCCCCCOONCOCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4;s10;d11;s11;s13;d14;s15;d16;d13s17;s17;s16;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H9Cl2NO3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.7988
Area:479.079
Solvation:-2.17818
Coulombic:-51.162
Bond Count [?]
All:21
Single:13
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:310.132
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:4.5
LogP (Chemaxon):4.3

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